(2Z)-2-[(2-ethoxy-5-methoxy-phenyl)methylidene]-3-oxidanylidene-7-propyl-1-benzofuran-5-carboxylic acid

Systemtic Name: (2Z)-2-[(2-ethoxy-5-methoxy-phenyl)methylidene]-3-oxidanylidene-7-propyl-1-benzofuran-5-carboxylic acid Openeye Name: (2Z)-2-[(2-ethoxy-5-methoxy-phenyl)methylene]-3-oxo-7-propyl-benzofuran-5-carboxylic acid CAS Name: (2Z)-2-[(2-ethoxy-5-methoxyphenyl)methylidene]-3-oxo-7-propyl-5-benzofurancarboxylic acid IUPAC Name: (2Z)-2-[(2-ethoxy-5-methoxyphenyl)methylidene]-3-oxo-7-propyl-1-benzofuran-5-carboxylic acid Traditional Name: (2Z)-2-(2-ethoxy-5-methoxy-benzylidene)-3-keto-7-propyl-coumaran-5-carboxylic acid Formula: C22H22O6 MolecularWeight: 382.40648

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=C1)C(=O)O)C(=O)C(=CC3=C(C=CC(=C3)OC)OCC)O2

Isomeric SMILES

CCCC1=C2C(=CC(=C1)C(=O)O)C(=O)/C(=C/C3=C(C=CC(=C3)OC)OCC)/O2

InChI

InChI=1S/C22H22O6/c1-4-6-13-9-15(22(24)25)11-17-20(23)19(28-21(13)17)12-14-10-16(26-3)7-8-18(14)27-5-2/h7-12H,4-6H2,1-3H3,(H,24,25)/b19-12-